Vitas-M small molecule compound
propan-2-yl 2-(butylsulfanyl)-7-methyl-4-oxo-5-(pyridin-3-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980976
SMILES CCCCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1cccnc1)C(=O)OC(C)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H26N4O3S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S/c1-5-6-10-29-21-24-18-17(19(26)25-21)16(14-8-7-9-22-11-14)15(13(4)23-18)20(27)28-12(2)3/h7-9,11-12,16H,5-6,10H2,1-4H3,(H2,23,24,25,26)InChIKey
IDFZRHVYAIXETG-UHFFFAOYSA-NSynonyms
CCCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CN=CC=C3)C(=O)OC(C)C)C
CCCCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1cccnc1)C(=O)OC(C)C)C
InChI=1SC21H26N4O3Sc156102921241817(19(26)2521)16(14879221114)15(13(4)2318)20(27)2812(2)3h79111216H5610H214H3(H223242526)
MFCD08256066
propan2yl2(butylsulfanyl)7methyl4oxo5(pyridin3yl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
propan2yl2butylsulfanyl7methyl4oxo5pyridin3yl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000007990942
ZINC000007990943
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